Reaction Details Report a problem with these data
Target
Large envelope protein
Ligand
BDBM246823
Substrate
n/a
Meas. Tech.
HBsAg assay
Temperature
298.15±n/a K
IC50
3.00±n/a nM
Comments
extracted
Citation
Han, X; Jiang, M; Wang, Y; Yang, S Tetracyclic 4-oxo-pyridine-3-carboxylic acid derivatives for the treatment and prophylaxis of hepatitis B virus infection US Patent US10053461 Publication Date 8/21/2018
More Info.:
Target
Name:
Large envelope protein
Synonyms:
HBSAG_HBVD3 | S
Type:
n/a
Mol. Mass.:
42772.52
Organism:
Hepatitis B virus
Description:
P03138
Residue:
389
Sequence:
MGQNLSTSNPLGFFPDHQLDPAFRANTANPDWDFNPNKDTWPDANKVGAGAFGLGFTPPHGGLLGWSPQAQGILQTLPANPPPASTNRQSGRQPTPLSPPLRNTHPQAMQWNSTTFHQTLQDPRVRGLYFPAGGSSSGTVNPVLTTASPLSSIFSRIGDPALNMENITSGFLGPLLVLQAGFFLLTRILTIPQSLDSWWTSLNFLGGTTVCLGQNSQSPTSNHSPTSCPPTCPGYRWMCLRRFIIFLFILLLCLIFLLVLLDYQGMLPVCPLIPGSSTTSTGPCRTCMTTAQGTSMYPSCCCTKPSDGNCTCIPIPSSWAFGKFLWEWASARFSWLSLLVPFVQWFVGLSPTVWLSVIWMMWYWGPSLYSILSPFLPLLPIFFCLWVYI
Inhibitor
Name:
BDBM246823
Synonyms:
Cis-11-(3-hydroxy-2,2-dimethylpropoxy)-10-methoxy-3,3-dimethyl-7-oxo-1,2,3,3a,7,12b-hexahydrocyclopenta[c]pyrido[2,1-a]isoquinoline-6-carboxylic acid | US10053461, 14
Type:
Small organic molecule
Emp. Form.:
C25H31NO6
Mol. Mass.:
441.5167
SMILES:
COc1cc-2c(cc1OCC(C)(C)CO)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21 |r|